Homoclausenamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    136112-76-0

    Molecular formula
    C18H17NO2

    SMILES
    CN1C=C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.07%
    Spicy 36.05%
    Fruity 33.59%
    Bitter 32.05%
    Odorless 29.05%
    Honey 28.77%
    Floral 27.68%
    Almond 25.76%
    Balsamic 24.59%
    Vanilla 23.12%

     

    Flavor
    Bitter 84.7%
    Nitrile 20.18%
    Cedarleaf 20.11%
    Lovage 19.53%
    Sweet-like 18.87%
    Indole 18.79%
    Very strong 18.74%
    Heather 18.56%
    Butyric 18.53%
    Genet 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.97 (neutral)

    Molecular weight
    279.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 198.56 ˚C est.

  • Synonyms

    • Homoclausenamide
    • 3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one
    • 136112-76-0
    • SCHEMBL28392512
    • CHEBI:173986
    • 136112-76-0

  • Applications

    Homoclausenamide (CAS 136112-76-0) is considered an intermediate in organic synthesis and may be used as a processing solvent or reaction medium in industrial manufacturing; it is also being evaluated as a stabilizer or plasticizer in polymer formulations; potential applications include coatings and inks, as well as adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.52
    methanol 15.3
    isopropanol 3.9
    water 0.08
    ethyl acetate 9.26
    n-propanol 6.43
    acetone 14.95
    n-butanol 4.93
    acetonitrile 6.97
    DMF 100.3
    toluene 14.24
    isobutanol 4.4
    1,4-dioxane 22.15
    methyl acetate 10.9
    THF 36.62
    2-butanone 15.33
    n-pentanol 4.99
    sec-butanol 2.9
    n-hexane 0.07
    ethylene glycol 7.06
    NMP 45.06
    cyclohexane 0.23
    DMSO 42.4
    n-butyl acetate 7.99
    n-octanol 3.46
    chloroform 42.21
    n-propyl acetate 7.79
    acetic acid 22.78
    dichloromethane 43.0
    cyclohexanone 33.07
    propylene glycol 5.9
    isopropyl acetate 7.72
    DMAc 108.17
    2-ethoxyethanol 19.12
    isopentanol 6.56
    n-heptane 0.22
    ethyl formate 11.13
    1,2-dichloroethane 38.84
    n-hexanol 7.4
    2-methoxyethanol 31.67
    isobutyl acetate 6.13
    tetrachloromethane 1.68
    n-pentyl acetate 8.23
    transcutol 66.75
    n-heptanol 7.07
    ethylbenzene 6.79
    MIBK 10.86
    2-propoxyethanol 24.02
    tert-butanol 6.19
    MTBE 3.18
    2-butoxyethanol 20.28
    propionic acid 10.45
    o-xylene 9.13
    formic acid 16.46
    diethyl ether 3.92
    m-xylene 8.68
    p-xylene 6.54
    chlorobenzene 18.66
    dimethyl carbonate 20.02
    n-octane 0.16
    formamide 36.42
    cyclopentanone 45.75
    2-pentanone 10.94
    anisole 15.32
    cyclopentyl methyl ether 11.46
    gamma-butyrolactone 47.39
    1-methoxy-2-propanol 22.01
    pyridine 52.67
    3-pentanone 10.13
    furfural 66.13
    n-dodecane 0.2
    diethylene glycol 27.91
    diisopropyl ether 1.38
    tert-amyl alcohol 4.63
    acetylacetone 22.93
    n-hexadecane 0.23
    acetophenone 23.4
    methyl propionate 13.98
    isopentyl acetate 9.4
    trichloroethylene 92.97
    n-nonanol 4.25
    cyclohexanol 5.58
    benzyl alcohol 20.48
    2-ethylhexanol 5.3
    isooctanol 6.33
    dipropyl ether 4.58
    1,2-dichlorobenzene 19.45
    ethyl lactate 11.01
    propylene carbonate 23.28
    n-methylformamide 32.33
    2-pentanol 2.88
    n-pentane 0.08
    1-propoxy-2-propanol 14.13
    1-methoxy-2-propyl acetate 17.3
    2-(2-methoxypropoxy) propanol 18.64
    mesitylene 4.29
    ε-caprolactone 23.56
    p-cymene 5.23
    epichlorohydrin 71.71
    1,1,1-trichloroethane 9.24
    2-aminoethanol 11.17
    morpholine-4-carbaldehyde 58.79
    sulfolane 61.06
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 11.57
    n-hexyl acetate 9.11
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 24.49
    sec-butyl acetate 5.66
    tert-butyl acetate 9.13
    decalin 0.41
    glycerin 17.93
    diglyme 54.48
    acrylic acid 17.6
    isopropyl myristate 4.43
    n-butyric acid 13.49
    acetyl acetate 10.75
    di(2-ethylhexyl) phthalate 8.67
    ethyl propionate 8.09
    nitromethane 44.46
    1,2-diethoxyethane 13.38
    benzonitrile 20.67
    trioctyl phosphate 4.94
    1-bromopropane 5.24
    gamma-valerolactone 67.01
    n-decanol 3.26
    triethyl phosphate 7.83
    4-methyl-2-pentanol 3.83
    propionitrile 9.14
    vinylene carbonate 30.79
    1,1,2-trichlorotrifluoroethane 59.02
    DMS 14.33
    cumene 4.56
    2-octanol 3.06
    2-hexanone 8.48
    octyl acetate 5.6
    limonene 5.4
    1,2-dimethoxyethane 33.98
    ethyl orthosilicate 7.33
    tributyl phosphate 5.15
    diacetone alcohol 17.33
    N,N-dimethylaniline 12.74
    acrylonitrile 22.51
    aniline 21.25
    1,3-propanediol 13.63
    bromobenzene 16.34
    dibromomethane 16.9
    1,1,2,2-tetrachloroethane 61.03
    2-methyl-cyclohexyl acetate 11.12
    tetrabutyl urea 9.28
    diisobutyl methanol 4.05
    2-phenylethanol 20.5
    styrene 7.98
    dioctyl adipate 8.96
    dimethyl sulfate 31.36
    ethyl butyrate 8.31
    methyl lactate 18.02
    butyl lactate 11.19
    diethyl carbonate 7.63
    propanediol butyl ether 13.51
    triethyl orthoformate 8.46
    p-tert-butyltoluene 4.59
    methyl 4-tert-butylbenzoate 20.84
    morpholine 24.96
    tert-butylamine 2.78
    n-dodecanol 2.53
    dimethoxymethane 42.46
    ethylene carbonate 19.94
    cyrene 28.37
    2-ethoxyethyl acetate 16.33
    2-ethylhexyl acetate 7.13
    1,2,4-trichlorobenzene 25.07
    4-methylpyridine 29.19
    dibutyl ether 3.55
    2,6-dimethyl-4-heptanol 4.05
    DEF 19.95
    dimethyl isosorbide 36.12
    tetrachloroethylene 35.17
    eugenol 23.6
    triacetin 15.86
    span 80 14.43
    1,4-butanediol 5.89
    1,1-dichloroethane 12.38
    2-methyl-1-pentanol 6.16
    methyl formate 27.12
    2-methyl-1-butanol 4.91
    n-decane 0.31
    butyronitrile 6.97
    3,7-dimethyl-1-octanol 4.24
    1-chlorooctane 1.94
    1-chlorotetradecane 0.86
    n-nonane 0.22
    undecane 0.24
    tert-butylcyclohexane 0.35
    cyclooctane 0.12
    cyclopentanol 5.67
    tetrahydropyran 12.12
    tert-amyl methyl ether 3.51
    2,5,8-trioxanonane 37.3
    1-hexene 0.69
    2-isopropoxyethanol 13.3
    2,2,2-trifluoroethanol 11.38
    methyl butyrate 10.8

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction